4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

C14H26N2O6 — CID 137497726

IUPAC4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SMILESCOC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)OC(C)(C)C
InChIInChI=1S/C14H26N2O6/c1-8(22-14(2,3)4)11(13(20)21-5)16-12(19)9(15)6-7-10(17)18/h8-9,11H,6-7,15H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyQWBKPBSKAFJXBJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.04
Rot. Bonds8

About 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 137497726) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
PubChem CID137497726
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SMILESCOC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)OC(C)(C)C
InChIInChI=1S/C14H26N2O6/c1-8(22-14(2,3)4)11(13(20)21-5)16-12(19)9(15)6-7-10(17)18/h8-9,11H,6-7,15H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyQWBKPBSKAFJXBJ-UHFFFAOYSA-N
XLogP0.04
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-amino-5-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 131713273
methyl (2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoate
CID 57114090
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 65049349
(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-methylbutanoic acid
CID 175962941
(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid
CID 175704678
methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate
CID 107568571
methyl (2S,3R)-2-(2-aminobutanoylamino)-3-trityloxybutanoate
CID 59278497
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
CID 22700553
2-[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-3-methylpentanoic acid
CID 18266036
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid
CID 18264513
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid
CID 18266095

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (CID 137497726) is 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is COC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)OC(C)(C)C.
What is the InChIKey of 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is QWBKPBSKAFJXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6/c1-8(22-14(2,3)4)11(13(20)21-5)16-12(19)9(15)6-7-10(17)18/h8-9,11H,6-7,15H2,1-5H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 318.37 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 137497726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).